1-benzyl-1,3-diazinan-2-one

C11H14N2O — CID 13404971

IUPAC1-benzyl-1,3-diazinan-2-one
SMILESO=C1NCCCN1Cc1ccccc1
InChIInChI=1S/C11H14N2O/c14-11-12-7-4-8-13(11)9-10-5-2-1-3-6-10/h1-3,5-6H,4,7-9H2,(H,12,14)
InChIKeyWKSFKEGGQALVAF-UHFFFAOYSA-N
MW190.25 g/mol
LogP1.60
Rot. Bonds2

About 1-benzyl-1,3-diazinan-2-one

1-benzyl-1,3-diazinan-2-one (PubChem CID 13404971) has the molecular formula C11H14N2O and a molecular weight of 190.25 g/mol. Its IUPAC name is 1-benzyl-1,3-diazinan-2-one.

Molecular Properties

Compound Name1-benzyl-1,3-diazinan-2-one
PubChem CID13404971
Molecular FormulaC11H14N2O
Molecular Weight190.25 g/mol
Exact Mass190.11
IUPAC Name1-benzyl-1,3-diazinan-2-one
SMILESO=C1NCCCN1Cc1ccccc1
InChIInChI=1S/C11H14N2O/c14-11-12-7-4-8-13(11)9-10-5-2-1-3-6-10/h1-3,5-6H,4,7-9H2,(H,12,14)
InChIKeyWKSFKEGGQALVAF-UHFFFAOYSA-N
XLogP1.60
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-1,3-diazinan-2-one?
The IUPAC name of 1-benzyl-1,3-diazinan-2-one (CID 13404971) is 1-benzyl-1,3-diazinan-2-one.
What is the SMILES notation for 1-benzyl-1,3-diazinan-2-one?
The canonical SMILES for 1-benzyl-1,3-diazinan-2-one is O=C1NCCCN1Cc1ccccc1.
What is the InChIKey of 1-benzyl-1,3-diazinan-2-one?
The InChIKey is WKSFKEGGQALVAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O/c14-11-12-7-4-8-13(11)9-10-5-2-1-3-6-10/h1-3,5-6H,4,7-9H2,(H,12,14).
What are the key properties of 1-benzyl-1,3-diazinan-2-one?
1-benzyl-1,3-diazinan-2-one has a molecular weight of 190.25 g/mol, XLogP of 1.60, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-1,3-diazinan-2-one is sourced from PubChem (CID 13404971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).